N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C11H9BrClN3O2 — CID 102979124

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C11H9BrClN3O2/c1-5-9(6(2)18-16-5)11(17)15-8-3-7(12)4-14-10(8)13/h3-4H,1-2H3,(H,15,17)
InChIKeyMXGCZDPNQBYRND-UHFFFAOYSA-N
MW330.57 g/mol
LogP3.35
Rot. Bonds2

About N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 102979124) has the molecular formula C11H9BrClN3O2 and a molecular weight of 330.57 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID102979124
Molecular FormulaC11H9BrClN3O2
Molecular Weight330.57 g/mol
Exact Mass328.96
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C11H9BrClN3O2/c1-5-9(6(2)18-16-5)11(17)15-8-3-7(12)4-14-10(8)13/h3-4H,1-2H3,(H,15,17)
InChIKeyMXGCZDPNQBYRND-UHFFFAOYSA-N
XLogP3.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 81024357
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 102979497
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
N-(4-chloro-2-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 113257836
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 106834710
N-(5-bromo-2-chloro-3-pyridinyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114052084
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 102979124) is N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is MXGCZDPNQBYRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2/c1-5-9(6(2)18-16-5)11(17)15-8-3-7(12)4-14-10(8)13/h3-4H,1-2H3,(H,15,17).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 330.57 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 102979124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).